Geometry & MOs

Info

ID:	166550
PubChem CID:	74707804
Reduced:	NO3C19H26 (1)
Stoich.:	AB3C19D26 (1)
Weight, g/mol:	334.178024
ΔH_f, kcal/mol:	-139.48
Dipole, Da:	4.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755228
Charge, e:	-2

Chem-info

IUPAC name:

6-(2-carboxylatoethyl)-3a,6-dimethyl-7-oxo-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-3-carboxylate

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2C(=O)[O-])CC=C4C3(CCC(=O)N4)C

DOS

IR

Vibrations